N-(2,2,5-trimethylhexyl)cyclopropanamine

C12H25N — CID 62724341

IUPACN-(2,2,5-trimethylhexyl)cyclopropanamine
SMILESCC(C)CCC(C)(C)CNC1CC1
InChIInChI=1S/C12H25N/c1-10(2)7-8-12(3,4)9-13-11-5-6-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWVTVMXZDVATGJC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds6

About N-(2,2,5-trimethylhexyl)cyclopropanamine

N-(2,2,5-trimethylhexyl)cyclopropanamine (PubChem CID 62724341) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(2,2,5-trimethylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2,5-trimethylhexyl)cyclopropanamine
PubChem CID62724341
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(2,2,5-trimethylhexyl)cyclopropanamine
SMILESCC(C)CCC(C)(C)CNC1CC1
InChIInChI=1S/C12H25N/c1-10(2)7-8-12(3,4)9-13-11-5-6-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWVTVMXZDVATGJC-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
N-(2,2-dimethylnonyl)cyclopropanamine
CID 63523416
N-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
N-(3-cyclopentyl-2,2-dimethylpropyl)cyclopropanamine
CID 62723939
N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63493471
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
N-(2,2-dimethylbutyl)piperidin-4-amine
CID 103460712

Frequently Asked Questions

What is the IUPAC name of N-(2,2,5-trimethylhexyl)cyclopropanamine?
The IUPAC name of N-(2,2,5-trimethylhexyl)cyclopropanamine (CID 62724341) is N-(2,2,5-trimethylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2,2,5-trimethylhexyl)cyclopropanamine?
The canonical SMILES for N-(2,2,5-trimethylhexyl)cyclopropanamine is CC(C)CCC(C)(C)CNC1CC1.
What is the InChIKey of N-(2,2,5-trimethylhexyl)cyclopropanamine?
The InChIKey is WVTVMXZDVATGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)7-8-12(3,4)9-13-11-5-6-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(2,2,5-trimethylhexyl)cyclopropanamine?
N-(2,2,5-trimethylhexyl)cyclopropanamine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5-trimethylhexyl)cyclopropanamine is sourced from PubChem (CID 62724341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).